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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof

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This commit is contained in:
Steve Plimpton
2017-03-23 15:31:27 -06:00
parent dcede304df
commit 44841f6891
42 changed files with 316 additions and 154 deletions
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6
src/special.cpp
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@ -75,8 +75,8 @@ void Special::build()
const double * const special_lj = force->special_lj;
const double * const special_coul = force->special_coul;
fprintf(screen,"Finding 1-2 1-3 1-4 neighbors ...\n"
" Special bond factors lj: %-10g %-10g %-10g\n"
" Special bond factors coul: %-10g %-10g %-10g\n",
" special bond factors lj: %-10g %-10g %-10g\n"
" special bond factors coul: %-10g %-10g %-10g\n",
special_lj[1],special_lj[2],special_lj[3],
special_coul[1],special_coul[2],special_coul[3]);
}
@ -498,6 +498,7 @@ void Special::dedup()
// re-create map
atom->map_init(0);
atom->nghost = 0;
atom->map_set();
}
@ -649,6 +650,7 @@ void Special::combine()
// re-create map
atom->map_init(0);
atom->nghost = 0;
atom->map_set();
}